Metropolis simulations of Met-Enkephalin with solvent-accessible area parameterizations [PDF]
, 2003 We investigate the solvent-accessible area method by means of Metropolis simulations of the brain peptide Met-Enkephalin at 300$ K$. For the energy function ECEPP/2 nine atomic solvation parameter (ASP) sets are studied. The simulations are compared with
A.H. Juffer +34 more
core +2 more sources
Responses of substantia gelatinosa neurons to putative neurotransmitters in an in vitro preparation of the adult rat spinal cord [PDF]
, 1983 Extracellular recordings were performed from neurons of the substantia gelatinosa (SG) in an in vitro preparation obtained from the spinal cord of adult rats. About 40% of neurons were spontaneously active.
B. Sutor +29 more
core +1 more source
Characteristic Temperatures of Folding of a Small Peptide [PDF]
, 1997 We perform a generalized-ensemble simulation of a small peptide taking the interactions among all atoms into account. From this simulation we obtain thermodynamic quantities over a wide range of temperatures.
Anfinsen +25 more
core +3 more sources
Three protected tetrapeptides [PDF]
, 1996 The structures of three protected tetrapeptides, containing the Boc-Gly-Gly-Phe-X-OMe chain, tert-butoxycarbonyl-glycy-glycl-phenylalanine-leucine methyl ester dihydrate, Boc-Gly-Gly-L-Phe-D-Leu-OMe, C25H38N4O7·2H2O, tert-butoxycarbonyl-glycy-glycl ...
Casalone, Gianluigi, Fenude, Emma
core +1 more source
Degrees of freedom effect on fragmentation in tandem mass spectrometry of singly charged supramolecular aggregates of sodium sulfonates [PDF]
, 2013 The characteristic collision energy (CCE) to obtain 50% fragmentation of positively and negatively single charged non-covalent clusters has been measured.
Bongiorno, David +7 more
core +2 more sources
The organisation of spinoparabrachial neurons in the mouse [PDF]
, 2015 The anterolateral tract (ALT), which originates from neurons in lamina I and the deep dorsal horn, represents a major ascending output through which nociceptive information is transmitted to brain areas involved in pain perception.
Cameron, Darren +5 more
core +1 more source
, 2012 Well-Tempered Metadynamics (WTmetaD) is an efficient method to enhance the reconstruction of the free-energy surface of proteins. WTmetaD guarantees a faster convergence in the long time limit in comparison with the standard metadynamics.
François Sicard +2 more
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Biased Metropolis Sampling for Rugged Free Energy Landscapes [PDF]
, 2003 Metropolis simulations of all-atom models of peptides (i.e. small proteins) are considered. Inspired by the funnel picture of Bryngelson and Wolyness, a transformation of the updating probabilities of the dihedral angles is defined, which uses ...
Berg, Bernd A.
core +3 more sources
Effective Sampling in the Configurational Space by the Multicanonical-Multioverlap Algorithm
, 2006 We propose a new generalized-ensemble algorithm, which we refer to as the multicanonical-multioverlap algorithm. By utilizing a non-Boltzmann weight factor, this method realizes a random walk in the multi-dimensional, energy-overlap space and explores ...
B. A. Berg +5 more
core +1 more source
Rugged Metropolis Sampling with Simultaneous Updating of Two Dynamical Variables [PDF]
, 2005 The Rugged Metropolis (RM) algorithm is a biased updating scheme, which aims at directly hitting the most likely configurations in a rugged free energy landscape. Details of the one-variable (RM$_1$) implementation of this algorithm are presented.
B. A. Berg +7 more
core +1 more source